Name: Name:Benzoic acid, 2-chloro-4-methyl-5-nitro-, methyl ester
Brand: Angene
SKU: AG000B15
Rating: 90 (10 reviews)

Benzoic acid, 2-chloro-4-methyl-5-nitro-, methyl ester

CAS No.:

1143026-45-2

Catalog Number:

AG000B15

Molecular Formula:

C9H8ClNO4

Molecular Weight:

229.6171

Catalog Number:

AG000B15

Chemical Name:

Benzoic acid, 2-chloro-4-methyl-5-nitro-, methyl ester

CAS Number:

1143026-45-2

Molecular Formula:

C9H8ClNO4

Molecular Weight:

229.6171

MDL Number:

MFCD16875898

IUPAC Name:

methyl 2-chloro-4-methyl-5-nitrobenzoate

InChI:

InChI=1S/C9H8ClNO4/c1-5-3-7(10)6(9(12)15-2)4-8(5)11(13)14/h3-4H,1-2H3

InChI Key:

MYJAKYQVMDBEOM-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc([N+](=O)[O-])c(cc1Cl)C

Complexity:

265

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.616g/mol

Monoisotopic Mass:

229.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6